49N
Summary
| Name: | 1-[3-(trifluoromethyl)pyridin-2-yl]piperazine |
| Formula: | C10 H12 F3 N3 |
| Formal charge: | 0 |
| Formula weight: | 231.218 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[3-(trifluoromethyl)pyridin-2-yl]piperazine |
| OpenEye OEToolkits | 1.9.2 | 1-[3-(trifluoromethyl)pyridin-2-yl]piperazine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)c1c(nccc1)N2CCNCC2 |
| InChI | InChI | 1.03 | InChI=1S/C10H12F3N3/c11-10(12,13)8-2-1-3-15-9(8)16-6-4-14-5-7-16/h1-3,14H,4-7H2 |
| InChIKey | InChI | 1.03 | FRFKCMNQNNNZNO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1cccnc1N2CCNCC2 |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1cccnc1N2CCNCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(c(nc1)N2CCNCC2)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(c(nc1)N2CCNCC2)C(F)(F)F |
